4-tert-butylsulfanyl-2,2-dimethyl-6-(quinolin-2-ylmethoxy)-3H-pyrrolo[1,2-a]indol-1-one

Systemtic Name: 4-tert-butylsulfanyl-2,2-dimethyl-6-(quinolin-2-ylmethoxy)-3H-pyrrolo[1,2-a]indol-1-one Openeye Name: 4-tert-butylsulfanyl-2,2-dimethyl-6-(2-quinolylmethoxy)-3H-pyrrolo[1,2-a]indol-1-one CAS Name: 4-(tert-butylthio)-2,2-dimethyl-6-(2-quinolinylmethoxy)-3H-pyrrolo[1,2-a]indol-1-one IUPAC Name: 4-tert-butylsulfanyl-2,2-dimethyl-6-(quinolin-2-ylmethoxy)-3H-pyrrolo[1,2-a]indol-1-one Traditional Name: 4-(tert-butylthio)-2,2-dimethyl-6-(2-quinolylmethoxy)-3H-pyrrol[1,2-a]indol-1-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=C(N2C1=O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C

Isomeric SMILES

CC1(CC2=C(C3=C(N2C1=O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C

InChI

InChI=1S/C27H28N2O2S/c1-26(2,3)32-24-20-14-19(12-13-22(20)29-23(24)15-27(4,5)25(29)30)31-16-18-11-10-17-8-6-7-9-21(17)28-18/h6-14H,15-16H2,1-5H3